苄哌立隆

• 常用名: 苄哌立隆
• 英文名: 3H-Pyrazol-3-one,1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)
• CAS号: 53-89-4
• 分子量: 347.45300
• 密度: 1.176g/cm3
• 沸点: 500.5ºC at 760 mmHg
• 分子式: C₂₂H₂₅N₃O
• 熔点: N/A
• 闪点: 256.5ºC

苄哌立隆名称

• 中文名: 苄哌立隆
• 英文名: Benzpiperilone

苄哌立隆物理化学性质

• 密度: 1.176g/cm3
• 沸点: 500.5ºC at 760 mmHg
• 分子式: C₂₂H₂₅N₃O
• 分子量: 347.45300
• 闪点: 256.5ºC
• 精确质量: 347.20000
• PSA: 41.03000
• LogP: 3.63880
• InChIKey: KMGARVOVYXNAOF-UHFFFAOYSA-N
• SMILES: CN1CCC(n2[nH]c(-c3ccccc3)c(Cc3ccccc3)c2=O)CC1
• 折射率: 1.618
• 储存条件: 通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.1

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:3

  6.拓扑分子极性表面积:35.6

  7.重原子数量:26

  8.表面电荷:0

  9.复杂度:524

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

苄哌立隆毒性和生态

苄哌立隆安全信息

• 海关编码: 2933990090

苄哌立隆海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

苄哌立隆靶点实验

查看更多实验

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay 来源：24386 靶标：N/A External Id：Sarm1 TIR NADase inhibitors

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：uHTS identification of small molecule modulators of NR3A 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1015-NR3A-Primary-Assay

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苄哌立隆英文别名

• Benzometan
• 4-benzyl-2-(1-methyl-piperidin-4-yl)-5-phenyl-1,2-dihydro-pyrazol-3-one
• 4-(benzyl)-2-(1-methyl-4-piperidyl)-5-phenyl-1H-pyrazol-3-one
• benzpiperylone
• 2-(1-methylpiperidin-4-yl)-5-phenyl-4-(phenylmethyl)-1H-pyrazol-3-one
• 1,2-Dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-benzyl-3H-pyrazol-3-one
• Telon
• Benzpiperylon
• 4-benzyl-2-(1-methyl-[4]piperidyl)-5-phenyl-1,2-dihydro-pyrazol-3-one
• KB-95
• 4-Benzyl-2-(1-methyl-[4]piperidyl)-5-phenyl-1,2-dihydro-pyrazol-3-on
• Reublonil
• 1-<N-Methyl-piperidyl-(4')>-3-phenyl-4-benzyl-pyrazol-5-on
• 1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-3H-pyrazol-3-one